L-783483

Ligand id: 2688

Name: L-783483

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 97.86
Molecular weight 487.08
XLogP 6.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]acetic acid
Synonyms
F3MethylAA
Database Links
BindingDB Ligand 50126018
ChEBI CHEBI:130120
ChEMBL Ligand CHEMBL23296
PubChem CID 9935197
RCSB PDB Ligand O90
Search Google for chemical match using the InChIKey TZBRFAASYWFUGK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TZBRFAASYWFUGK
Search UniChem for chemical match using the InChIKey TZBRFAASYWFUGK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TZBRFAASYWFUGK
SynPHARM 6426 (in complex with Liver X receptor-α)